4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

C19H21Cl2N3O2 — CID 113108119

IUPAC4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-18-5-3-2-4-14(18)13-22-19(25)24-8-6-23(7-9-24)17-11-15(20)10-16(21)12-17/h2-5,10-12H,6-9,13H2,1H3,(H,22,25)
InChIKeyDVAJGWMKMUIFSC-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.03
Rot. Bonds4

About 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113108119) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID113108119
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-26-18-5-3-2-4-14(18)13-22-19(25)24-8-6-23(7-9-24)17-11-15(20)10-16(21)12-17/h2-5,10-12H,6-9,13H2,1H3,(H,22,25)
InChIKeyDVAJGWMKMUIFSC-UHFFFAOYSA-N
XLogP4.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
methyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113108106
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
N-[(2-methoxyphenyl)methyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113108129
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111217477
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 113108119) is 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccccc1CNC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DVAJGWMKMUIFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-26-18-5-3-2-4-14(18)13-22-19(25)24-8-6-23(7-9-24)17-11-15(20)10-16(21)12-17/h2-5,10-12H,6-9,13H2,1H3,(H,22,25).
What are the key properties of 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113108119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).